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4214-28-2 | 1-Iodo-2,4-dimethylbenzene
CAS No: 4214-28-2 Catalog No: AG0038QO MDL No:MFCD00013706
Product Description
Catalog Number:
AG0038QO
Chemical Name:
1-Iodo-2,4-dimethylbenzene
CAS Number:
4214-28-2
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00013706
IUPAC Name:
1-iodo-2,4-dimethylbenzene
InChI:
InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
InChI Key:
BUNKQJAMHYKQIM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)I
EC Number:
224-141-4
NSC Number:
3780
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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